In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 22nd, 2008 | 36 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.57 | 11.06 | -38.92 | 2 | 13 | 0 | 170 | 494.464 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.03 | 10.72 | -59.94 | 1 | 13 | -1 | 173 | 493.456 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 11.78 | -20.55 | 2 | 13 | 0 | 170 | 494.464 | 8 | ↓ |